CID 75793

Nsc 426

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

COC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)OC

InChI

InChI=1S/C14H15N3O2/c1-18-13-6-4-3-5-12(13)17-16-10-7-8-11(15)14(9-10)19-2/h3-9H,15H2,1-2H3

InChIKey

UCLACBHPELKCCX-UHFFFAOYSA-N

Compound name

2-methoxy-4-[(2-methoxyphenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 257.11642 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.12370	156.7
[M+Na]+	280.10564	164.5
[M-H]-	256.10914	166.2
[M+NH4]+	275.15024	174.0
[M+K]+	296.07958	162.6
[M+H-H2O]+	240.11368	147.8
[M+HCOO]-	302.11462	187.1
[M+CH3COO]-	316.13027	207.5
[M+Na-2H]-	278.09109	163.6
[M]+	257.11587	159.6
[M]-	257.11697	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe